N-benzyl-2-[(5-bromofuran-2-yl)methylamino]acetamide

C14H15BrN2O2 — CID 54881657

IUPACN-benzyl-2-[(5-bromofuran-2-yl)methylamino]acetamide
SMILESO=C(CNCc1ccc(Br)o1)NCc1ccccc1
InChIInChI=1S/C14H15BrN2O2/c15-13-7-6-12(19-13)9-16-10-14(18)17-8-11-4-2-1-3-5-11/h1-7,16H,8-10H2,(H,17,18)
InChIKeyATMCYCHLOXSFPA-UHFFFAOYSA-N
MW323.19 g/mol
LogP2.45
Rot. Bonds6

About N-benzyl-2-[(5-bromofuran-2-yl)methylamino]acetamide

N-benzyl-2-[(5-bromofuran-2-yl)methylamino]acetamide (PubChem CID 54881657) has the molecular formula C14H15BrN2O2 and a molecular weight of 323.19 g/mol. Its IUPAC name is N-benzyl-2-[(5-bromofuran-2-yl)methylamino]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[(5-bromofuran-2-yl)methylamino]acetamide
PubChem CID54881657
Molecular FormulaC14H15BrN2O2
Molecular Weight323.19 g/mol
Exact Mass322.03
IUPAC NameN-benzyl-2-[(5-bromofuran-2-yl)methylamino]acetamide
SMILESO=C(CNCc1ccc(Br)o1)NCc1ccccc1
InChIInChI=1S/C14H15BrN2O2/c15-13-7-6-12(19-13)9-16-10-14(18)17-8-11-4-2-1-3-5-11/h1-7,16H,8-10H2,(H,17,18)
InChIKeyATMCYCHLOXSFPA-UHFFFAOYSA-N
XLogP2.45
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-3-[(5-bromofuran-2-yl)methyl]urea
CID 131219763
N-benzyl-2-(furan-2-ylmethylamino)acetamide
CID 43084380
2-[(5-bromofuran-2-yl)methylamino]acetamide
CID 16790036
N-benzyl-2-(thiophen-2-ylmethylamino)acetamide
CID 43242498
N-benzyl-2-(2-phenylethylamino)acetamide
CID 28829660
2-[(5-bromofuran-2-yl)methylamino]-1-pyrrolidin-1-ylethanone
CID 115745353
N-benzyl-2-[(4-bromo-3-chlorophenyl)methylamino]acetamide
CID 103581561
2-[[[2-(benzylamino)-2-oxoethyl]amino]methyl]prop-2-enoic acid
CID 103240670
N-benzyl-2-(cyclobutylmethylamino)acetamide
CID 43298629
5-[[[2-(benzylamino)-2-oxoethyl]amino]methyl]thiophene-2-carboxylic acid
CID 103240638
2-[(5-bromofuran-2-yl)methylamino]-2-oxoacetic acid
CID 131209047
N-benzyl-2-(2-methylprop-2-enylamino)acetamide
CID 62331341

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(5-bromofuran-2-yl)methylamino]acetamide?
The IUPAC name of N-benzyl-2-[(5-bromofuran-2-yl)methylamino]acetamide (CID 54881657) is N-benzyl-2-[(5-bromofuran-2-yl)methylamino]acetamide.
What is the SMILES notation for N-benzyl-2-[(5-bromofuran-2-yl)methylamino]acetamide?
The canonical SMILES for N-benzyl-2-[(5-bromofuran-2-yl)methylamino]acetamide is O=C(CNCc1ccc(Br)o1)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[(5-bromofuran-2-yl)methylamino]acetamide?
The InChIKey is ATMCYCHLOXSFPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O2/c15-13-7-6-12(19-13)9-16-10-14(18)17-8-11-4-2-1-3-5-11/h1-7,16H,8-10H2,(H,17,18).
What are the key properties of N-benzyl-2-[(5-bromofuran-2-yl)methylamino]acetamide?
N-benzyl-2-[(5-bromofuran-2-yl)methylamino]acetamide has a molecular weight of 323.19 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(5-bromofuran-2-yl)methylamino]acetamide is sourced from PubChem (CID 54881657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).